3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine

C16H11BrClFN2 — CID 102616013

IUPAC3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
SMILESFc1ccc(Cl)c(CNc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C16H11BrClFN2/c17-12-6-10-2-1-3-15(16(10)21-9-12)20-8-11-7-13(19)4-5-14(11)18/h1-7,9,20H,8H2
InChIKeyIZZSQENPVRHCSD-UHFFFAOYSA-N
MW365.63 g/mol
LogP5.40
Rot. Bonds3

About 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine

3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine (PubChem CID 102616013) has the molecular formula C16H11BrClFN2 and a molecular weight of 365.63 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
PubChem CID102616013
Molecular FormulaC16H11BrClFN2
Molecular Weight365.63 g/mol
Exact Mass363.98
IUPAC Name3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
SMILESFc1ccc(Cl)c(CNc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C16H11BrClFN2/c17-12-6-10-2-1-3-15(16(10)21-9-12)20-8-11-7-13(19)4-5-14(11)18/h1-7,9,20H,8H2
InChIKeyIZZSQENPVRHCSD-UHFFFAOYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine (CID 102616013) is 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine is Fc1ccc(Cl)c(CNc2cccc3cc(Br)cnc23)c1.
What is the InChIKey of 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine?
The InChIKey is IZZSQENPVRHCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN2/c17-12-6-10-2-1-3-15(16(10)21-9-12)20-8-11-7-13(19)4-5-14(11)18/h1-7,9,20H,8H2.
What are the key properties of 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine?
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine has a molecular weight of 365.63 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 102616013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).